1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one

C12H20O3 — CID 13353114

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O3/c1-9(2)11(13)10-3-5-12(6-4-10)14-7-8-15-12/h9-10H,3-8H2,1-2H3
InChIKeyZARWMUKIMNEWDD-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.14
Rot. Bonds2

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one

1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one (PubChem CID 13353114) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one
PubChem CID13353114
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O3/c1-9(2)11(13)10-3-5-12(6-4-10)14-7-8-15-12/h9-10H,3-8H2,1-2H3
InChIKeyZARWMUKIMNEWDD-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one (CID 13353114) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one is CC(C)C(=O)C1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one?
The InChIKey is ZARWMUKIMNEWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9(2)11(13)10-3-5-12(6-4-10)14-7-8-15-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one has a molecular weight of 212.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropan-1-one is sourced from PubChem (CID 13353114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).